methyl 2-[[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

InChI

InChI=1S/C20H24N4O4S/c1-12-16(13(2)23-20(22-12)29-4)9-10-17(25)24-15-7-5-14(6-8-15)19(27)21-11-18(26)28-3/h5-8H,9-11H2,1-4H3,(H,21,27)(H,24,25)